# generated using pymatgen
data_FeNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51910383
_cell_length_b   4.18118474
_cell_length_c   46.29475890
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.66756833
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeNi
_chemical_formula_sum   'Fe22 Ni22'
_cell_volume   1030.29242785
_cell_formula_units_Z   22
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe1  1  0.216228  0.285800  0.293942  1
  Fe  Fe2  1  0.648399  0.136647  0.314354  1
  Fe  Fe3  1  0.081065  0.981646  0.334718  1
  Fe  Fe4  1  0.509733  0.831020  0.354482  1
  Fe  Fe5  1  0.939830  0.680484  0.374539  1
  Fe  Fe6  1  0.369885  0.530616  0.394483  1
  Fe  Fe7  1  0.799893  0.380246  0.414514  1
  Fe  Fe8  1  0.230038  0.230075  0.434517  1
  Fe  Fe9  1  0.660061  0.079738  0.454498  1
  Fe  Fe10  1  0.090123  0.929486  0.474495  1
  Fe  Fe11  1  0.520159  0.779256  0.494487  1
  Fe  Fe12  1  0.950195  0.628994  0.514479  1
  Fe  Fe13  1  0.380254  0.478708  0.534466  1
  Fe  Fe14  1  0.810338  0.328405  0.554462  1
  Fe  Fe15  1  0.240426  0.178227  0.574481  1
  Fe  Fe16  1  0.670486  0.028067  0.594495  1
  Fe  Fe17  1  0.100347  0.877815  0.614433  1
  Fe  Fe18  1  0.530233  0.727814  0.634354  1
  Fe  Fe19  1  0.960853  0.576198  0.654330  1
  Fe  Fe20  1  0.390935  0.426744  0.674511  1
  Fe  Fe21  1  0.817714  0.273159  0.695308  1
  Fe  Fe22  1  0.258271  0.118541  0.714517  1
  Ni  Ni23  1  1.000391  0.859689  0.285418  1
  Ni  Ni24  1  0.436775  0.709288  0.304068  1
  Ni  Ni25  1  0.864960  0.556561  0.324527  1
  Ni  Ni26  1  0.294431  0.406885  0.344454  1
  Ni  Ni27  1  0.724684  0.255509  0.364528  1
  Ni  Ni28  1  0.155025  0.105726  0.384568  1
  Ni  Ni29  1  0.584903  0.955389  0.404505  1
  Ni  Ni30  1  0.015002  0.805113  0.424511  1
  Ni  Ni31  1  0.445016  0.654907  0.444493  1
  Ni  Ni32  1  0.875066  0.504624  0.464496  1
  Ni  Ni33  1  0.305141  0.354377  0.484491  1
  Ni  Ni34  1  0.735193  0.204102  0.504482  1
  Ni  Ni35  1  0.165263  0.053849  0.524483  1
  Ni  Ni36  1  0.595299  0.903609  0.544482  1
  Ni  Ni37  1  0.025308  0.753350  0.564461  1
  Ni  Ni38  1  0.455364  0.603091  0.584433  1
  Ni  Ni39  1  0.885397  0.452752  0.604433  1
  Ni  Ni40  1  0.315737  0.302607  0.624485  1
  Ni  Ni41  1  0.745813  0.152328  0.644579  1
  Ni  Ni42  1  0.174026  0.002794  0.664410  1
  Ni  Ni43  1  0.607247  0.847617  0.684372  1
  Ni  Ni44  1  0.038088  0.697045  0.704457  1
